Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL268784
Molecular formulaC35H18F2N4Na6O21S6
IUPAC namehexasodium;8-[[4-fluoro-3-[[2-fluoro-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonate
Molecular weight1198.83
Hydrogen bond acceptor23
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyAJDYCVVNMFYCNR-UHFFFAOYSA-H
Inchi IDInChI=1S/C35H24F2N4O21S6.6Na/c36-21-3-1-15(33(42)38-23-5-7-27(65(51,52)53)19-11-17(63(45,46)47)13-29(31(19)23)67(57,58)59)9-25(21)40-35(44)41-26-10-16(2-4-22(26)37)34(43)39-24-6-8-28(66(54,55)56)20-12-18(64(48,49)50)14-30(32(20)24)68(60,61)62;;;;;;/h1-14H,(H,38,42)(H,39,43)(H2,40,41,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6
PubChem CID13660948
ChEMBLCHEMBL268784
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6823P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
6822P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374
441970P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218